CID 12532250

4-bromo-7-methoxyindoline-2,3-dione

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
COC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2
InChI
InChI=1S/C9H6BrNO3/c1-14-5-3-2-4(10)6-7(5)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
UPLXITZBWUCNFA-UHFFFAOYSA-N
Compound name
4-bromo-7-methoxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

254.95311 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96039 149.2
[M+Na]+ 277.94233 151.8
[M+NH4]+ 272.98693 153.0
[M+K]+ 293.91627 153.9
[M-H]- 253.94583 147.9
[M+Na-2H]- 275.92778 149.6
[M]+ 254.95256 147.8
[M]- 254.95366 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe